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We propose a meta-learning approach that learns from multiple tasks in a transductive setting, by leveraging the unlabeled query set in addition to the support set to generate a more powerful model for each task. To develop our framework,…

Machine Learning · Computer Science 2020-04-28 Shell Xu Hu , Pablo G. Moreno , Yang Xiao , Xi Shen , Guillaume Obozinski , Neil D. Lawrence , Andreas Damianou

Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. These tasks span various domains, such as robotics, material design, and protein and molecular…

Machine Learning · Computer Science 2025-04-18 Ye Yuan , Youyuan Zhang , Can Chen , Haolun Wu , Zixuan Li , Jianmo Li , James J. Clark , Xue Liu

This work considers sequential edge-promoting Bayesian experimental design for (discretized) linear inverse problems, exemplified by X-ray tomography. The process of computing a total variation type reconstruction of the absorption inside…

Methodology · Statistics 2021-04-02 Tapio Helin , Nuutti Hyvönen , Juha-Pekka Puska

Mobile edge devices (e.g., AR/VR headsets) typically need to complete timely inference tasks while operating with limited on-board computing and energy resources. In this paper, we investigate the problem of collaborative inference in…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-28 Fatemeh Zahra Safaeipour , Jacob Chakareski , Morteza Hashemi

Bayesian optimization (BO) has been broadly applied to computational expensive problems, but it is still challenging to extend BO to high dimensions. Existing works are usually under strict assumption of an additive or a linear embedding…

Machine Learning · Computer Science 2019-07-23 Miao Zhang , Huiqi Li , Steven Su

Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the…

Machine Learning · Computer Science 2025-08-08 Georgios Makrygiorgos , Joshua Hang Sai Ip , Ali Mesbah

Design optimisation offers the potential to develop lightweight aircraft structures with reduced environmental impact. Due to the high number of design variables and constraints, these challenges are typically addressed using gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-08-04 Hauke F. Maathuis , Roeland De Breuker , Saullo G. P. Castro

Black-box problems are common in real life like structural design, drug experiments, and machine learning. When optimizing black-box systems, decision-makers always consider multiple performances and give the final decision by comprehensive…

Machine Learning · Computer Science 2021-01-22 Wenjie Chen , Shengcai Liu , Ke Tang

Bayesian optimization (BO) is a popular black-box function optimization method, which makes sequential decisions based on a Bayesian model, typically a Gaussian process (GP), of the function. To ensure the quality of the model, transfer…

Machine Learning · Computer Science 2024-02-15 Zhou Fan , Xinran Han , Zi Wang

Here a semi-implicit formulation of the gradient augmented level set method is presented. By tracking both the level set and it's gradient accurate subgrid information is provided,leading to highly accurate descriptions of a moving…

Numerical Analysis · Mathematics 2015-03-19 Ebrahim M. Kolahdouz , David Salac

State-of-the-art training algorithms for deep learning models are based on stochastic gradient descent (SGD). Recently, many variations have been explored: perturbing parameters for better accuracy (such as in Extragradient), limiting SGD…

Machine Learning · Computer Science 2022-03-23 Amirkeivan Mohtashami , Martin Jaggi , Sebastian U. Stich

A model-based optimal experiment design (OED) of nonlinear systems is studied. OED represents a methodology for optimizing the geometry of the parametric joint-confidence regions (CRs), which are obtained in an a posteriori analysis of the…

Optimization and Control · Mathematics 2020-08-14 Anwesh Reddy Gottu Mukkula , Radoslav Paulen

We consider the problem of optimizing hybrid structures (mixture of discrete and continuous input variables) via expensive black-box function evaluations. This problem arises in many real-world applications. For example, in materials design…

Machine Learning · Computer Science 2021-12-03 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

Computational Physics · Physics 2021-08-31 Maxim Ziatdinov , Ayana Ghosh , Sergei V. Kalinin

Bayesian optimization (BO) struggles in high dimensions, where Gaussian-process surrogates demand heavy retraining and brittle assumptions, slowing progress on real engineering and design problems. We introduce GIT-BO, a Gradient-Informed…

Computational Engineering, Finance, and Science · Computer Science 2026-03-06 Rosen Ting-Ying Yu , Cyril Picard , Faez Ahmed

Many approaches for optimizing decision making models rely on gradient based methods requiring informative feedback from the environment. However, in the case where such feedback is sparse or uninformative, such approaches may result in…

Machine Learning · Computer Science 2024-11-12 Mohit Rajpal , Lac Gia Tran , Yehong Zhang , Bryan Kian Hsiang Low

Fine-scale simulation of complex systems governed by multiscale partial differential equations (PDEs) is computationally expensive and various multiscale methods have been developed for addressing such problems. In addition, it is…

Computational Physics · Physics 2021-06-24 Govinda Anantha Padmanabha , Nicholas Zabaras

First-order optimization methods tend to inherently favor certain solutions over others when minimizing an underdetermined training objective that has multiple global optima. This phenomenon, known as implicit bias, plays a critical role in…

Machine Learning · Computer Science 2024-04-09 Guanghui Wang , Zihao Hu , Claudio Gentile , Vidya Muthukumar , Jacob Abernethy

Existing high-dimensional Bayesian optimization (BO) methods aim to overcome the curse of dimensionality by carefully encoding structural assumptions, from locality to sparsity to smoothness, into the optimization procedure. Surprisingly,…

Machine Learning · Computer Science 2026-04-10 Colin Doumont , Donney Fan , Natalie Maus , Jacob R. Gardner , Henry Moss , Geoff Pleiss

We propose a novel method that makes use of deep neural networks and gradient decent to perform automated design on complex real world engineering tasks. Our approach works by training a neural network to mimic the fitness function of a…

Machine Learning · Statistics 2017-10-31 Oliver Hennigh
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